You can:
Name | CHEMBL3325892 |
---|---|
Molecular formula | C28H31ClN8O3 |
IUPAC name | N-[5-(4-butanoyl-5-methylpyrazol-1-yl)pyrazin-2-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 563.059 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.3 |
Synonyms | BDBM50100261 SCHEMBL13505433 |
Inchi Key | CPGFYWIDGQNGRU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H31ClN8O3/c1-4-5-24(38)21-13-32-37(18(21)2)26-15-30-25(14-31-26)33-28(40)22-16-36(23-7-6-19(29)12-20(22)23)17-27(39)35-10-8-34(3)9-11-35/h6-7,12-16H,4-5,8-11,17H2,1-3H3,(H,30,33,40) |
PubChem CID | 66575821 |
ChEMBL | CHEMBL3325892 |
IUPHAR | N/A |
BindingDB | 50100261 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
443559 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
443560 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218